CID 936825

65040-36-0

Structural Information

Molecular Formula
C10H7BrClNO
SMILES
C1=CC2=C(C=C1Br)C(=CN2)C(=O)CCl
InChI
InChI=1S/C10H7BrClNO/c11-6-1-2-9-7(3-6)8(5-13-9)10(14)4-12/h1-3,5,13H,4H2
InChIKey
RYJJRBVIRXGVHX-UHFFFAOYSA-N
Compound name
1-(5-bromo-1H-indol-3-yl)-2-chloroethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.93994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.947216 149.0
[M+Na]+ 293.929158 163.7
[M-H]- 269.932664 154.3
[M+NH4]+ 288.973763 171.2
[M+K]+ 309.903098 149.8
[M+H-H2O]+ 253.937200 150.0
[M+HCOO]- 315.938141 165.1
[M+CH3COO]- 329.953791 164.2
[M+Na-2H]- 291.914606 155.6
[M]+ 270.93939142 170.2
[M]- 270.94048858 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe